CID 24801528

1011711-60-6

Structural Information

Molecular Formula
C9H7BrN2O
SMILES
CC(=O)C1=CNC2=C1C=CC(=N2)Br
InChI
InChI=1S/C9H7BrN2O/c1-5(13)7-4-11-9-6(7)2-3-8(10)12-9/h2-4H,1H3,(H,11,12)
InChIKey
XSHRQVRNFDDZPD-UHFFFAOYSA-N
Compound name
1-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.97418 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.98146 141.7
[M+Na]+ 260.96340 155.9
[M-H]- 236.96690 146.1
[M+NH4]+ 256.00800 163.1
[M+K]+ 276.93734 144.1
[M+H-H2O]+ 220.97144 141.7
[M+HCOO]- 282.97238 161.5
[M+CH3COO]- 296.98803 157.1
[M+Na-2H]- 258.94885 149.4
[M]+ 237.97363 161.3
[M]- 237.97473 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.